4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

C22H27N3O4 — CID 166501332

IUPAC4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCOc1ccc(CN2CC(C)Oc3nc(OC4CCNCC4)ccc3C2=O)cc1
InChIInChI=1S/C22H27N3O4/c1-15-13-25(14-16-3-5-17(27-2)6-4-16)22(26)19-7-8-20(24-21(19)28-15)29-18-9-11-23-12-10-18/h3-8,15,18,23H,9-14H2,1-2H3
InChIKeyOTDQAQAVSRYJML-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.64
Rot. Bonds5

About 4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (PubChem CID 166501332) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
PubChem CID166501332
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCOc1ccc(CN2CC(C)Oc3nc(OC4CCNCC4)ccc3C2=O)cc1
InChIInChI=1S/C22H27N3O4/c1-15-13-25(14-16-3-5-17(27-2)6-4-16)22(26)19-7-8-20(24-21(19)28-15)29-18-9-11-23-12-10-18/h3-8,15,18,23H,9-14H2,1-2H3
InChIKeyOTDQAQAVSRYJML-UHFFFAOYSA-N
XLogP2.64
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (CID 166501332) is 4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is COc1ccc(CN2CC(C)Oc3nc(OC4CCNCC4)ccc3C2=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The InChIKey is OTDQAQAVSRYJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15-13-25(14-16-3-5-17(27-2)6-4-16)22(26)19-7-8-20(24-21(19)28-15)29-18-9-11-23-12-10-18/h3-8,15,18,23H,9-14H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one has a molecular weight of 397.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2-methyl-8-piperidin-4-yloxy-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is sourced from PubChem (CID 166501332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).